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SCHEMBL14747421

SCHEMBL14747421

Cc1ccc2oc3c(O[C@@H]4C[C@H]5C(=O)N[C@]6(C(=O)NS(=O)(=O)C7CC7)C[C@H]6/C=C\CCCCC[C@H](NC(=O)OC6CCCC6)C(=O)N5C4)cc(-c4ccc(F)cc4)nc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.50
▸ ADRA2B P18089 1/20 0.50
▸ ADRA2C P18825 1/20 0.50
▸ CTSB P07858 1/20 0.44
▸ CTSS P25774 1/20 0.41
▸ CYP3A4 P08684 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6857344 0.97 ADRB3 (0.48) ADRB3ADRA2BADRA2CCTSBCTSS
SCHEMBL6857356 0.96 ADRB3 (0.45) ADRB3ADRA2BADRA2CCTSBCTSS
SCHEMBL6857318 0.95 ADRB3 (0.46) ADRB3ADRA2BADRA2CCTSBCTSS
SCHEMBL6857354 0.95 ADRB3 (0.44) ADRB3ADRA2BADRA2CCTSBCTSS
SCHEMBL6857258 0.94 ADRB3 (0.52) ADRB3ADRA2BADRA2CCTSBCTSS
SCHEMBL6857319 0.94 ADRB3 (0.44) ADRB3ADRA2BADRA2CCTSBCTSS
SCHEMBL6857220 0.94 ADRB3 (0.49) ADRB3ADRA2BADRA2CCTSBCTSS
SCHEMBL6857246 0.94 ADRB3 (0.51) ADRB3ADRA2BADRA2CCTSBCTSS
SCHEMBL6857357 0.93 ADRB3 (0.44) ADRB3ADRA2BADRA2CCTSBCTSS
SCHEMBL6857271 0.93 ADRB3 (0.53) ADRB3ADRA2BADRA2CCTSBCTSS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389560-B2 HCV protease inhibitors TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2013-03-05 — — US disclosed
US-8389560-B2 HCV protease inhibitors TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2013-03-05 — — US disclosed
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